2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one

C25H22ClN5O2 — CID 145415656

IUPAC2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
SMILESCCc1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2ccccc12
InChIInChI=1S/C17H14ClNO.C8H8N4O/c1-2-13-11-12-7-6-10-15(18)16(12)17(20)19(13)14-8-4-3-5-9-14;9-7-6(8(10)13)5-3-1-2-4-12(5)11-7/h3-11H,2H2,1H3;1-4H,(H2,9,11)(H2,10,13)
InChIKeyNSMDXDAGNRESPD-UHFFFAOYSA-N
MW459.94 g/mol
LogP4.22
Rot. Bonds3

About 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one

2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one (PubChem CID 145415656) has the molecular formula C25H22ClN5O2 and a molecular weight of 459.94 g/mol. Its IUPAC name is 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one.

Molecular Properties

Compound Name2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
PubChem CID145415656
Molecular FormulaC25H22ClN5O2
Molecular Weight459.94 g/mol
Exact Mass459.15
IUPAC Name2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
SMILESCCc1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2ccccc12
InChIInChI=1S/C17H14ClNO.C8H8N4O/c1-2-13-11-12-7-6-10-15(18)16(12)17(20)19(13)14-8-4-3-5-9-14;9-7-6(8(10)13)5-3-1-2-4-12(5)11-7/h3-11H,2H2,1H3;1-4H,(H2,9,11)(H2,10,13)
InChIKeyNSMDXDAGNRESPD-UHFFFAOYSA-N
XLogP4.22
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.94
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-aminopyrazolo[1,5-b][1,2,4]triazine-8-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one
CID 145415648
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-chloro-3-ethyl-2-(2-phenylethyl)isoquinolin-1-one
CID 144823958
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144824115
8-chloro-3-ethyl-2-phenylisoquinolin-1-one;5-(2-methyltetrazol-5-yl)pyrimidine-4,6-diamine
CID 144810828
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(5-methyl-1,3-thiazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824584
2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one
CID 145415578
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;8-[2-(2,3-dimethylimidazol-4-yl)ethynyl]-3-ethyl-2-phenylisoquinolin-1-one
CID 144824587
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-2-phenylisoquinolin-1-one
CID 144824687
8-chloro-3-ethyl-2-phenylisoquinolin-1-one;5-methylsulfonylpyrimidine-2,4-diamine
CID 144543957
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[3-(8-chloro-3-ethyl-1-oxoisoquinolin-2-yl)cyclobutyl]methanesulfonamide
CID 144824033
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-8-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-2-phenylisoquinolin-1-one
CID 144824595
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-ethyl-2-phenyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]isoquinolin-1-one
CID 144823951

Frequently Asked Questions

What is the IUPAC name of 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one?
The IUPAC name of 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one (CID 145415656) is 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one.
What is the SMILES notation for 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one?
The canonical SMILES for 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one is CCc1cc2cccc(Cl)c2c(=O)n1-c1ccccc1.NC(=O)c1c(N)nn2ccccc12.
What is the InChIKey of 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one?
The InChIKey is NSMDXDAGNRESPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO.C8H8N4O/c1-2-13-11-12-7-6-10-15(18)16(12)17(20)19(13)14-8-4-3-5-9-14;9-7-6(8(10)13)5-3-1-2-4-12(5)11-7/h3-11H,2H2,1H3;1-4H,(H2,9,11)(H2,10,13).
What are the key properties of 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one?
2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one has a molecular weight of 459.94 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyrazolo[1,5-a]pyridine-3-carboxamide;8-chloro-3-ethyl-2-phenylisoquinolin-1-one is sourced from PubChem (CID 145415656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).